{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6940733 -3.6669018 -4.9326562 ] [ -1.3563441 -1.2712478 4.3594926 ] [ -0.4313823 2.9479377 -1.6806316 ] [ -0.0244695 0.4217742 -0.1677319 ] [ 3.5062692 1.5684376 2.4215271 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.714204635181505e-09 -5.875024334729438e-09 -7.902986442084169e-09 ] [ -2.173102806780018e-09 -2.036763504403434e-09 6.984677122270606e-09 ] [ -6.911506356869319e-10 4.723116862514925e-09 -2.692668657697697e-09 ] [ -3.920446082266561e-11 6.757567624966233e-10 -2.687361287423635e-10 ] [ 5.617662538471119e-09 2.512914053903662e-09 3.879714106253624e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3488816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.33763829093473e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9928398 1.7325758 2.2566236 ] [ 1.752972 2.0767255 4.6716842 ] [ 2.4552836 4.1353596 2.1107571 ] [ 4.3894711 1.448739 2.6856877 ] [ 3.7389815 3.3746311 4.0554715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9928398e-10 1.7325758e-10 2.2566236e-10 ] [ 1.752972e-10 2.0767255e-10 4.671684199999999e-10 ] [ 2.4552836e-10 4.1353596e-10 2.1107571e-10 ] [ 4.3894711e-10 1.448739e-10 2.6856877e-10 ] [ 3.7389815e-10 3.3746311e-10 4.0554715e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 5e-06 -8.9e-06 ] [ 2.29e-05 4.4e-06 -2.1e-06 ] [ -0.0 -3.4e-06 2e-06 ] [ -1.38e-05 4.7e-06 1.29e-05 ] [ -1.33e-05 -1.07e-05 -4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.72914180736e-15 8.010883104e-15 -1.425937192512e-14 ] [ 3.668984461632e-14 7.04957713152e-15 -3.36457090368e-15 ] [ 0.0 -5.44740051072e-15 3.2043532416e-15 ] [ -2.211003736704e-14 7.53023011776e-15 2.066807840832e-14 ] [ -2.130894905664e-14 -1.714328984256e-14 -6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.951916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.754690376816545e-18 } }